Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.34 |
| ▸ | CTSK | P43235 | 7/20 | 0.33 |
| ▸ | CTSS | P25774 | 6/20 | 0.33 |
| ▸ | GLA | P06280 | 1/20 | 0.32 |
| ▸ | MCL1 | Q07820 | 2/20 | 0.31 |
| ▸ | CTSL | P07711 | 1/20 | 0.31 |
| ▸ | CTSB | P07858 | 1/20 | 0.31 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.30 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.30 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.30 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.30 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.30 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL1639757 | 0.80 | TSHR (0.50) | MEN1KMT2ATSHREPHX2HDAC8 | |
| SCHEMBL28508164 | 0.79 | MCL1 (0.39) | ALDH1A1MEN1MAPTKMT2ACTSK | |
| SCHEMBL182386 | 0.78 | ALDH1A1 (0.41) | ALDH1A1MEN1MAPTKMT2ACTSK | |
| Hydrochloric Acid SCHEMBL7239543 | 0.78 | TSHR (0.48) | MEN1KMT2ATSHREPHX2HDAC8 | |
| SCHEMBL9847857 | 0.77 | TSHR (0.39) | ALDH1A1TSHREPHX2CTSKHDAC8 | |
| SCHEMBL11931439 | 0.77 | TDP1 (0.53) | MEN1KMT2ACTSKCTSSCTSL | |
| SCHEMBL9585490 | 0.76 | EPHX2 (0.40) | MEN1MAPTKMT2AEPHX2CTSK | |
| SCHEMBL28458032 | 0.76 | CTSK (0.36) | ALDH1A1MEN1MAPTKMT2ACTSK | |
| SCHEMBL134923 | 0.76 | EPHX2 (0.46) | ALDH1A1TSHREPHX2HDAC8HDAC3 | |
| SCHEMBL11931441 | 0.76 | TDP1 (0.55) | MEN1KMT2ACTSKCTSSCTSL |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-2002030060-A | METHOD FOR PRODUCING 4-CYANO-3-HYDROXYBUTYRIC ACID ESTER | WARNER LAMBERT CO | 2002-01-29 | — | — | JP | disclosed |